N-[4-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chloranyl-phenyl]-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-[4-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chloranyl-phenyl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chloro-phenyl]-3-fluoro-benzenesulfonamide CAS Name: N-[4-(4-amino-7-cyclopentyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-chlorophenyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-chlorophenyl]-3-fluorobenzenesulfonamide Traditional Name: N-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chloro-phenyl]-3-fluoro-benzenesulfonamide Formula: C23H21ClFN5O2S MolecularWeight: 485.961543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=C(C3=C2N=CN=C3N)C4=CC(=C(C=C4)NS(=O)(=O)C5=CC=CC(=C5)F)Cl

Isomeric SMILES

C1CCC(C1)N2C=C(C3=C2N=CN=C3N)C4=CC(=C(C=C4)NS(=O)(=O)C5=CC=CC(=C5)F)Cl

InChI

InChI=1S/C23H21ClFN5O2S/c24-19-10-14(8-9-20(19)29-33(31,32)17-7-3-4-15(25)11-17)18-12-30(16-5-1-2-6-16)23-21(18)22(26)27-13-28-23/h3-4,7-13,16,29H,1-2,5-6H2,(H2,26,27,28)